5-morpholin-4-yl-2-nitrophenol

C10H12N2O4 — CID 2799399

IUPAC5-morpholin-4-yl-2-nitrophenol
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)cc1O
InChIInChI=1S/C10H12N2O4/c13-10-7-8(1-2-9(10)12(14)15)11-3-5-16-6-4-11/h1-2,7,13H,3-6H2
InChIKeyXXIIDARBNMZFEH-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.14
Rot. Bonds2

About 5-morpholin-4-yl-2-nitrophenol

5-morpholin-4-yl-2-nitrophenol (PubChem CID 2799399) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 5-morpholin-4-yl-2-nitrophenol.

Molecular Properties

Compound Name5-morpholin-4-yl-2-nitrophenol
PubChem CID2799399
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name5-morpholin-4-yl-2-nitrophenol
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)cc1O
InChIInChI=1S/C10H12N2O4/c13-10-7-8(1-2-9(10)12(14)15)11-3-5-16-6-4-11/h1-2,7,13H,3-6H2
InChIKeyXXIIDARBNMZFEH-UHFFFAOYSA-N
XLogP1.14
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-2-nitrophenol?
The IUPAC name of 5-morpholin-4-yl-2-nitrophenol (CID 2799399) is 5-morpholin-4-yl-2-nitrophenol.
What is the SMILES notation for 5-morpholin-4-yl-2-nitrophenol?
The canonical SMILES for 5-morpholin-4-yl-2-nitrophenol is O=[N+]([O-])c1ccc(N2CCOCC2)cc1O.
What is the InChIKey of 5-morpholin-4-yl-2-nitrophenol?
The InChIKey is XXIIDARBNMZFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-10-7-8(1-2-9(10)12(14)15)11-3-5-16-6-4-11/h1-2,7,13H,3-6H2.
What are the key properties of 5-morpholin-4-yl-2-nitrophenol?
5-morpholin-4-yl-2-nitrophenol has a molecular weight of 224.22 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-2-nitrophenol is sourced from PubChem (CID 2799399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).